5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-

Base Information

• Chemical Name: 5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-
• CAS No.: 69898-61-9
• Molecular Formula: C32H34 N2 O5
• Molecular Weight: 526.62276
• European Community (EC) Number: 274-202-4
• DSSTox Substance ID: DTXSID10887521
• Nikkaji Number: J318.083B
• Mol file: 69898-61-9.mol

Synonyms:69898-61-9;EINECS 274-202-4;5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-;1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1h-indol-3-yl)-1,3-dihydro-3-oxoisobenzo[b]furan-5-carboxylic acid;1-[4-(DIETHYLAMINO)-2-ETHOXYPHENYL]-1-(1-ETHYL-2-METHYL-1H-INDOL-3-YL)-1,3-DIHYDRO-3-OXOISOBENZOFURAN-5-CARBOXYLIC ACID;3-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-6-isobenzofurancarboxylic acid;5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-;1-(4-(Diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylic acid;DTXSID10887521;1-[4-(Diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid

Chemical Property of 5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-

Chemical Property:

• Vapor Pressure: 3.46E-22mmHg at 25°C
• Boiling Point: 727°C at 760 mmHg
• Flash Point: 393.5°C
• PSA: 81.00000
• Density: 1.21g/cm³
• LogP: 6.37500
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 526.24677219
• Heavy Atom Count: 39
• Complexity: 879

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(C=C(C=C5)N(CC)CC)OCC)C

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